3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide

C20H13FN4O3 — CID 173167822

IUPAC3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H13FN4O3/c21-14-10-8-13(9-11-14)19-17-6-1-2-7-18(17)24(23-19)20(26)22-15-4-3-5-16(12-15)25(27)28/h1-12H,(H,22,26)
InChIKeyNOPQWLGQCXYJIE-UHFFFAOYSA-N
MW376.35 g/mol
LogP4.83
Rot. Bonds3

About 3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide

3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide (PubChem CID 173167822) has the molecular formula C20H13FN4O3 and a molecular weight of 376.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide
PubChem CID173167822
Molecular FormulaC20H13FN4O3
Molecular Weight376.35 g/mol
Exact Mass376.10
IUPAC Name3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C20H13FN4O3/c21-14-10-8-13(9-11-14)19-17-6-1-2-7-18(17)24(23-19)20(26)22-15-4-3-5-16(12-15)25(27)28/h1-12H,(H,22,26)
InChIKeyNOPQWLGQCXYJIE-UHFFFAOYSA-N
XLogP4.83
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide (CID 173167822) is 3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide?
The InChIKey is NOPQWLGQCXYJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O3/c21-14-10-8-13(9-11-14)19-17-6-1-2-7-18(17)24(23-19)20(26)22-15-4-3-5-16(12-15)25(27)28/h1-12H,(H,22,26).
What are the key properties of 3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide?
3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide has a molecular weight of 376.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide is sourced from PubChem (CID 173167822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).